Interionic Potentials Based on Charge-Transfer Model for Ionic and Partially Ionic Substances. II. Copper-, Silver and Thallium-Halides

Nagasaka Shin-ichiro, Kojima Tadanobu

doi:10.1143/jpsj.56.671

Interionic Potentials Based on Charge-Transfer Model for Ionic and Partially Ionic Substances. II. Copper-, Silver and Thallium-Halides

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Nagasaka Shin-ichiro

Department of Physics, Yamagata University
Kojima Tadanobu

Department of Physics, Tohoku University

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説明

Interionic potentials based on the charge-transfer (CT) model are shown to reproduce both the observed molecular constants and the observed cohesive energy of crystals equally well, with a reasonable value of ionicity, in copper- and silver-halides as was the case in alkali halides. The model is less satisfactory in thallium halides, but can be improved by incorporating the effect of an intraionic excitation of T1⁺ with the original CT model. A new picture of the interaction revealed through the CT models is discussed.